2-(5-nitropyridin-2-yl)sulfanyl-1,3-benzothiazole

Systemtic Name: 2-(5-nitropyridin-2-yl)sulfanyl-1,3-benzothiazole Openeye Name: 2-[(5-nitro-2-pyridyl)sulfanyl]-1,3-benzothiazole CAS Name: 2-[(5-nitro-2-pyridinyl)thio]-1,3-benzothiazole IUPAC Name: 2-(5-nitropyridin-2-yl)sulfanyl-1,3-benzothiazole Traditional Name: 2-[(5-nitro-2-pyridyl)thio]-1,3-benzothiazole Formula: C12H7N3O2S2 MolecularWeight: 289.33288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H7N3O2S2/c16-15(17)8-5-6-11(13-7-8)19-12-14-9-3-1-2-4-10(9)18-12/h1-7H